SCHEMBL7369735

SCHEMBL7369735

O=c1oc(C2(Cc3ccccc3)CCCC2)cc(O)c1C(c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
HTR6 P50406 6/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.34
MAP1LC3A Q9H492 1/20 0.34
PARP1 P09874 1/20 0.34
NR3C1 P04150 1/20 0.34
GAA P10253 2/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
NAMPT P43490 1/20 0.33
SLC2A1 P11166 1/20 0.33
GFER P55789 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PDE4B Q07343 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7373325 0.97 HTR6 (0.37) PTGESHTR6MAP1LC3BMAP1LC3APARP1
SCHEMBL7371448 0.93 PTGES (0.37) PTGESHTR6MAP1LC3BMAP1LC3APARP1
SCHEMBL7366903 0.91 PTGES (0.37) PTGESHTR6MAP1LC3BMAP1LC3APARP1
SCHEMBL7372608 0.91 HTR6 (0.38) PTGESHTR6MAP1LC3BMAP1LC3APARP1
SCHEMBL7373124 0.90 HTR6 (0.38) PTGESHTR6MAP1LC3BMAP1LC3APARP1
SCHEMBL7376434 0.89 HTR6 (0.38) PTGESHTR6MAP1LC3BMAP1LC3APARP1
SCHEMBL7370592 0.88 HTR6 (0.39) PTGESHTR6MAP1LC3BMAP1LC3AGAA
SCHEMBL8535546 0.85 PDE4A (0.38) HTR6MAP1LC3BMAP1LC3AGAATSHR
SCHEMBL8538749 0.83 MEN1 (0.37) HTR6MAP1LC3BMAP1LC3AGAATSHR
SCHEMBL8534559 0.83 PDE4A (0.37) PTGESHTR6MAP1LC3BMAP1LC3AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed